4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane

C14H28O — CID 14157599

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OC(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3
InChIKeyGVVHHMCCQBLGPZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds2

About 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane

4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane (PubChem CID 14157599) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
PubChem CID14157599
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(OC(C)(C)C)C1
InChIInChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3
InChIKeyGVVHHMCCQBLGPZ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane (CID 14157599) is 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(OC(C)(C)C)C1.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
The InChIKey is GVVHHMCCQBLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-10(2)12-8-7-11(3)9-13(12)15-14(4,5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane?
4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 14157599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).